REMARK  Name = BDB051119
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.581   0.909   0.133  0.00  0.00    +0.072 A 
ATOM      2  C   LIG    1        0.841   2.276   0.116  0.00  0.00    +0.135 A 
ATOM      3  F   LIG    1        1.896   2.792   0.763  0.00  0.00    -0.205 F 
ATOM      4  C   LIG    1       -0.004   3.146  -0.566  0.00  0.00    +0.039 A 
ATOM      5  C   LIG    1       -1.132   2.650  -1.224  0.00  0.00    +0.007 A 
ATOM      6  C   LIG    1       -1.436   1.280  -1.187  0.00  0.00    -0.041 A 
ATOM      7  C   LIG    1       -0.561   0.412  -0.512  0.00  0.00    +0.020 A 
ENDROOT
BRANCH   1   9
ATOM      8  O   LIG    1        0.926  -0.902   1.559  0.00  0.00    -0.270 OA
ATOM      9  C   LIG    1        1.450  -0.039   0.859  0.00  0.00    +0.249 C 
ATOM     10  N   LIG    1        2.811   0.074   0.690  0.00  0.00    -0.296 N 
ATOM     11  C   LIG    1        3.795  -0.952   1.058  0.00  0.00    +0.116 C 
ATOM     12  C   LIG    1        4.680  -0.323   0.017  0.00  0.00    +0.002 C 
ATOM     13  C   LIG    1        5.975   0.317   0.467  0.00  0.00    +0.010 C 
ATOM     14  C   LIG    1        6.684  -0.949  -0.079  0.00  0.00    +0.001 C 
ATOM     15  C   LIG    1        5.425  -1.218  -0.943  0.00  0.00    +0.010 C 
ATOM     16  C   LIG    1        3.563   0.543  -0.479  0.00  0.00    +0.116 C 
ENDBRANCH   1   9
BRANCH   6  17
ATOM     17  C   LIG    1       -2.655   0.762  -1.919  0.00  0.00    +0.093 C 
BRANCH  17  18
ATOM     18  C   LIG    1       -3.405  -0.344  -1.189  0.00  0.00    +0.074 A 
ATOM     19  C   LIG    1       -4.246  -0.021  -0.008  0.00  0.00    +0.011 A 
ATOM     20  C   LIG    1       -4.900  -1.082   0.615  0.00  0.00    +0.050 A 
ATOM     21  C   LIG    1       -5.710  -0.863   1.736  0.00  0.00    +0.014 A 
ATOM     22  C   LIG    1       -5.865   0.429   2.236  0.00  0.00    +0.001 A 
ATOM     23  C   LIG    1       -5.214   1.495   1.617  0.00  0.00    +0.001 A 
ATOM     24  C   LIG    1       -4.734  -2.443   0.080  0.00  0.00    +0.272 A 
ATOM     25  O   LIG    1       -5.300  -3.405   0.588  0.00  0.00    -0.266 OA
ATOM     26  N   LIG    1       -3.919  -2.565  -1.018  0.00  0.00    -0.242 N 
ATOM     27  H   LIG    1       -3.787  -3.498  -1.396  0.00  0.00    +0.192 HD
ATOM     28  C   LIG    1       -4.406   1.275   0.497  0.00  0.00    +0.010 A 
ATOM     29  N   LIG    1       -3.265  -1.554  -1.649  0.00  0.00    -0.175 NA
ENDBRANCH  17  18
ENDBRANCH   6  17
TORSDOF 3